4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide

C16H20BrN3O — CID 61140816

IUPAC4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H20BrN3O/c1-3-7-20-11-14(18)9-15(20)16(21)19(2)10-12-5-4-6-13(17)8-12/h4-6,8-9,11H,3,7,10,18H2,1-2H3
InChIKeyXLXNETOEXJROJN-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.52
Rot. Bonds5

About 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide

4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide (PubChem CID 61140816) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
PubChem CID61140816
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H20BrN3O/c1-3-7-20-11-14(18)9-15(20)16(21)19(2)10-12-5-4-6-13(17)8-12/h4-6,8-9,11H,3,7,10,18H2,1-2H3
InChIKeyXLXNETOEXJROJN-UHFFFAOYSA-N
XLogP3.52
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61113889
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643888
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61114885
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 61116342
4-bromo-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43641304
4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 54877540
4-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 60959903
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
4-amino-N-[(3-bromophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65353986
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79385261
4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 107197417

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide (CID 61140816) is 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)N(C)Cc1cccc(Br)c1.
What is the InChIKey of 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
The InChIKey is XLXNETOEXJROJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-7-20-11-14(18)9-15(20)16(21)19(2)10-12-5-4-6-13(17)8-12/h4-6,8-9,11H,3,7,10,18H2,1-2H3.
What are the key properties of 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61140816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).